7ERA

Crystal structure of human Biliverdin IX-beta reductase B with Olsalazine Sodium (OSS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97945
Spacegroup name	P 21 21 2
Unit cell lengths	81.976, 117.225, 41.466
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.680 - 1.350
R-factor	0.1548
Rwork	0.154
R-free	0.17380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1he5
RMSD bond length	0.016
RMSD bond angle	1.568
Data scaling software	HKL-2000 (1.16_3549)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.680	1.399
High resolution limit [Å]	1.350	1.350
Rmerge	0.094	0.425
Number of reflections	88173	8590
<I/σ(I)>	13.91
Completeness [%]	99.6
Redundancy	10.6
CC(1/2)	0.999	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	1.9-2.0M Ammonium sulfate, 0.1M Bis-tris (pH 6.5)